6-chloro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

C6H10ClN5 — CID 22563

IUPAC6-chloro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)Nc1nc(N)nc(Cl)n1
InChIInChI=1S/C6H10ClN5/c1-3(2)9-6-11-4(7)10-5(8)12-6/h3H,1-2H3,(H3,8,9,10,11,12)
InChIKeyDFWFIQKMSFGDCQ-UHFFFAOYSA-N
MW187.63 g/mol
LogP0.93
Rot. Bonds2

About 6-chloro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

6-chloro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 22563) has the molecular formula C6H10ClN5 and a molecular weight of 187.63 g/mol. Its IUPAC name is 6-chloro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID22563
Molecular FormulaC6H10ClN5
Molecular Weight187.63 g/mol
Exact Mass187.06
IUPAC Name6-chloro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)Nc1nc(N)nc(Cl)n1
InChIInChI=1S/C6H10ClN5/c1-3(2)9-6-11-4(7)10-5(8)12-6/h3H,1-2H3,(H3,8,9,10,11,12)
InChIKeyDFWFIQKMSFGDCQ-UHFFFAOYSA-N
XLogP0.93
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (CID 22563) is 6-chloro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is CC(C)Nc1nc(N)nc(Cl)n1.
What is the InChIKey of 6-chloro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is DFWFIQKMSFGDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClN5/c1-3(2)9-6-11-4(7)10-5(8)12-6/h3H,1-2H3,(H3,8,9,10,11,12).
What are the key properties of 6-chloro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 187.63 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 22563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).